(Z)-2-(4-methoxy-2-methylphenyl)-3-(3-methylthiophen-2-yl)prop-2-enoic acid

C16H16O3S — CID 83951656

IUPAC(Z)-2-(4-methoxy-2-methylphenyl)-3-(3-methylthiophen-2-yl)prop-2-enoic acid
SMILESCOc1ccc(/C(=C/c2sccc2C)C(=O)O)c(C)c1
InChIInChI=1S/C16H16O3S/c1-10-6-7-20-15(10)9-14(16(17)18)13-5-4-12(19-3)8-11(13)2/h4-9H,1-3H3,(H,17,18)/b14-9-
InChIKeyREUYEPKVVZPIAD-ZROIWOOFSA-N
MW288.37 g/mol
LogP4.00
Rot. Bonds4

About (Z)-2-(4-methoxy-2-methylphenyl)-3-(3-methylthiophen-2-yl)prop-2-enoic acid

(Z)-2-(4-methoxy-2-methylphenyl)-3-(3-methylthiophen-2-yl)prop-2-enoic acid (PubChem CID 83951656) has the molecular formula C16H16O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is (Z)-2-(4-methoxy-2-methylphenyl)-3-(3-methylthiophen-2-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-(4-methoxy-2-methylphenyl)-3-(3-methylthiophen-2-yl)prop-2-enoic acid
PubChem CID83951656
Molecular FormulaC16H16O3S
Molecular Weight288.37 g/mol
Exact Mass288.08
IUPAC Name(Z)-2-(4-methoxy-2-methylphenyl)-3-(3-methylthiophen-2-yl)prop-2-enoic acid
SMILESCOc1ccc(/C(=C/c2sccc2C)C(=O)O)c(C)c1
InChIInChI=1S/C16H16O3S/c1-10-6-7-20-15(10)9-14(16(17)18)13-5-4-12(19-3)8-11(13)2/h4-9H,1-3H3,(H,17,18)/b14-9-
InChIKeyREUYEPKVVZPIAD-ZROIWOOFSA-N
XLogP4.00
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-(4-methoxy-2-methylphenyl)-3-thiophen-2-ylprop-2-enoic acid
CID 83951576
(Z)-3-(4-fluorophenyl)-2-(4-methoxy-2-methylphenyl)prop-2-enoic acid
CID 83955695
(Z)-2-(4-methoxy-2-methylphenyl)-3-pyridin-4-ylprop-2-enoic acid
CID 83956040
(Z)-3-(2,4-dichlorophenyl)-2-(4-methoxy-2-methylphenyl)prop-2-enoic acid
CID 83954749
(Z)-2-(4-methoxy-2-methylphenyl)-3-(4-methyl-3-nitrophenyl)prop-2-enoic acid
CID 112720828
(Z)-2-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enoic acid
CID 83950888
4-methoxy-2-methyl-1-[1,2,2-tris(4-methoxy-2-methylphenyl)ethenyl]benzene
CID 102177256
2-[(Z)-2-carboxy-2-(4-ethoxy-2-methylphenyl)ethenyl]benzoic acid
CID 83954063
(2,5-dimethoxyphenyl)-(3-methylthiophen-2-yl)methanone
CID 43462545
4-(4-methoxyphenoxy)-2-methylbenzoic acid
CID 22349454
(3,5-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanone
CID 114965510
1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-one
CID 65313346

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-methoxy-2-methylphenyl)-3-(3-methylthiophen-2-yl)prop-2-enoic acid?
The IUPAC name of (Z)-2-(4-methoxy-2-methylphenyl)-3-(3-methylthiophen-2-yl)prop-2-enoic acid (CID 83951656) is (Z)-2-(4-methoxy-2-methylphenyl)-3-(3-methylthiophen-2-yl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-(4-methoxy-2-methylphenyl)-3-(3-methylthiophen-2-yl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-(4-methoxy-2-methylphenyl)-3-(3-methylthiophen-2-yl)prop-2-enoic acid is COc1ccc(/C(=C/c2sccc2C)C(=O)O)c(C)c1.
What is the InChIKey of (Z)-2-(4-methoxy-2-methylphenyl)-3-(3-methylthiophen-2-yl)prop-2-enoic acid?
The InChIKey is REUYEPKVVZPIAD-ZROIWOOFSA-N. The full InChI is InChI=1S/C16H16O3S/c1-10-6-7-20-15(10)9-14(16(17)18)13-5-4-12(19-3)8-11(13)2/h4-9H,1-3H3,(H,17,18)/b14-9-.
What are the key properties of (Z)-2-(4-methoxy-2-methylphenyl)-3-(3-methylthiophen-2-yl)prop-2-enoic acid?
(Z)-2-(4-methoxy-2-methylphenyl)-3-(3-methylthiophen-2-yl)prop-2-enoic acid has a molecular weight of 288.37 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-methoxy-2-methylphenyl)-3-(3-methylthiophen-2-yl)prop-2-enoic acid is sourced from PubChem (CID 83951656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).